[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone

C₂₀H₁₈FN₅O₂ — CID 122184044

About [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone

[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 122184044) has the molecular formula C₂₀H₁₈FN₅O₂ and a molecular weight of 379.40 g/mol. Its IUPAC name is [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

• Compound Name: [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
• PubChem CID: 122184044
• Molecular Formula: C₂₀H₁₈FN₅O₂
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone
• SMILES: O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2
• InChI: InChI=1S/C20H18FN5O2/c21-14-5-6-19(22-11-14)28-18-10-13-9-17(18)25(12-13)20(27)15-3-1-2-4-16(15)26-23-7-8-24-26/h1-8,11,13,17-18H,9-10,12H2/t13?,17?,18-/m1/s1
• InChIKey: IXVDHKPYSUJISB-ZTUNLMCQSA-N
• XLogP: 2.48
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The IUPAC name of [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 122184044) is [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone.

What is the SMILES notation for [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The canonical SMILES for [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CC2CC1[C@H](Oc1ccc(F)cn1)C2.

What is the InChIKey of [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

The InChIKey is IXVDHKPYSUJISB-ZTUNLMCQSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-14-5-6-19(22-11-14)28-18-10-13-9-17(18)25(12-13)20(27)15-3-1-2-4-16(15)26-23-7-8-24-26/h1-8,11,13,17-18H,9-10,12H2/t13?,17?,18-/m1/s1.

What are the key properties of [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone?

[(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 379.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-[(5-fluoro-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 122184044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122184044 — identifiers, structure, computed properties (public domain)

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